COMPOUNDS FOR BIOLOGICAL SCREENING
AND LEAD OPTIMIZATION


Vitas-M Lab ID: STL150221
Chemical Name: 2-{[(E)-(1-butyl-4,6-dioxo-2-sulfanyl-1,6-dihydropyrimidin-5(4H)-ylidene)methyl]amino}-N,N,N-trimethylethanaminium
Smiles: CCCCN1C(=NC(=O)/C(=C\NCC[N+](C)(C)C)/C1=O)S

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Saltdata: Cl-
Molecular Weight: 313.44
Empirical Formula: C14H25N4O2S

Physical State: Dry powder
Available Amount: 300 mg

Lipinsky:
logP: -2.303
Rotatable bonds: 6
H-donors: 1
H-acceptors: 2
PSA: 100
Number of rings: 1

     

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